1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
TL;DR: 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride (CAS 122777-87-1) is a chemical compound with molecular formula C9H16ClN3O2S and molecular weight 265.0652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-dimethyl-N-(2-nitrothiophen-3-yl)propane-1,3-diamine;hydrochloride
Also Known As: 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride, N,N-Dimethyl-N'-(2-nitro-3-thienyl)-1,3-propanediamine hydrochloride, 3-Thiophenamine, N-(3-(dimethylamino)propyl)-2-nitro-, monohydrochloride, N',N'-dimethyl-N-(2-nitrothiophen-3-yl)propane-1,3-diamine hydrochloride, N~1~,N~1~-Dimethyl-N~3~-(2-nitrothiophen-3-yl)propane-1,3-diamine--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C9H16ClN3O2S |
| Molecular Weight | 265.0652 g/mol |
| XLogP | 2.4417 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.0652 Da |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
| SMILES | CN(C)CCCNC1=C(SC=C1)[N+](=O)[O-].Cl |
| InChIKey | NDTZRSWYEFNMHZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
Property Insights of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
The XLogP value of 2.4417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride is 122777-87-1.
What is the molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride is C9H16ClN3O2S.
What is the molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride is 265.0652 g/mol.
Where can I buy 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
You can request a quote for 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.